2-Chloro-5-fluoronicotinamide

CAT: 0926-ADA30264-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ADA30264-01Size:0.5 g

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CAS Number

75302-64-6

MDL Number

MFCD16658704

Smiles

C1=C (C=NC (=C1C (=O) N) Cl) F

Molecular Formula

C6H4ClFN2O

Molecular Weight

174.56 g/mol

Controlled

Chemical Information

2-Chloro-5-fluoropyridine-3-carboxamide

CAS Number	75302-64-6
PubChem CID	12629796
IUPAC Name	2-chloro-5-fluoropyridine-3-carboxamide
Molecular Formula	C6H4ClFN2O
Molecular Weight	174.56
XLogP	0.8
Topological Polar Surface Area	56
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	167

SMILES

C1=C(C=NC(=C1C(=O)N)Cl)F

InChI

InChI=1S/C6H4ClFN2O/c7-5-4(6(9)11)1-3(8)2-10-5/h1-2H,(H2,9,11)

InChIKey

KHRZSLCUROLAAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 75302-64-6

CID: 12629796

Formula: C6H4ClFN2O

MW: 174.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.56
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	173.9996186
Monoisotopic Mass	173.9996186
Topological Polar Surface Area	56 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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