2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid

C7H8ClN3O2 — CID 84733867

IUPAC2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc(Cl)[nH]c2CN1
InChIInChI=1S/C7H8ClN3O2/c8-7-10-3-1-4(6(12)13)9-2-5(3)11-7/h4,9H,1-2H2,(H,10,11)(H,12,13)
InChIKeyFEIMERIPDAWUDP-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.16
Rot. Bonds1

About 2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid

2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 84733867) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID84733867
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc(Cl)[nH]c2CN1
InChIInChI=1S/C7H8ClN3O2/c8-7-10-3-1-4(6(12)13)9-2-5(3)11-7/h4,9H,1-2H2,(H,10,11)(H,12,13)
InChIKeyFEIMERIPDAWUDP-UHFFFAOYSA-N
XLogP0.16
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 16807503
3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid
CID 83668336
3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid
CID 55296929
(6R)-3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride
CID 162341617
(2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid
CID 15735990
(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 2733173
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
benzene;6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 142501010
2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid
CID 84667792
1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 14403762
1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 79354470
2,6-dimethyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 82417255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 84733867) is 2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2nc(Cl)[nH]c2CN1.
What is the InChIKey of 2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is FEIMERIPDAWUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c8-7-10-3-1-4(6(12)13)9-2-5(3)11-7/h4,9H,1-2H2,(H,10,11)(H,12,13).
What are the key properties of 2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 201.61 g/mol, XLogP of 0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 84733867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).