2-Cyclopropylaminonicotinic acid

CAT: 0127-OR958277-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR958277-01Size:5 g

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CAS Number

639807-18-4

MDL Number

MFCD11106728

Purity

97%

Smiles

OC(=O)c1cccnc1NC2CC2

Chemical Information

2-(Cyclopropylamino)nicotinic acid

CAS Number	639807-18-4
PubChem CID	10035163
IUPAC Name	2-(cyclopropylamino)pyridine-3-carboxylic acid
Molecular Formula	C9H10N2O2
Molecular Weight	178.19
XLogP	1.8
Topological Polar Surface Area	62.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	204

SMILES

C1CC1NC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C9H10N2O2/c12-9(13)7-2-1-5-10-8(7)11-6-3-4-6/h1-2,5-6H,3-4H2,(H,10,11)(H,12,13)

InChIKey

QVDNJGOBMXAPSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 639807-18-4

CID: 10035163

Formula: C9H10N2O2

MW: 178.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.19
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	178.074227566
Monoisotopic Mass	178.074227566
Topological Polar Surface Area	62.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	204
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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