(4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

C14H14ClN3O3 — CID 95876330

IUPAC(4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1nc2c([nH]1)CCN[C@H]2C(=O)O
InChIInChI=1S/C14H14ClN3O3/c1-21-10-3-2-7(15)6-8(10)13-17-9-4-5-16-12(14(19)20)11(9)18-13/h2-3,6,12,16H,4-5H2,1H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyRJNJNIDQMYKJDN-GFCCVEGCSA-N
MW307.74 g/mol
LogP2.01
Rot. Bonds3

About (4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

(4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 95876330) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is (4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID95876330
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name(4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1nc2c([nH]1)CCN[C@H]2C(=O)O
InChIInChI=1S/C14H14ClN3O3/c1-21-10-3-2-7(15)6-8(10)13-17-9-4-5-16-12(14(19)20)11(9)18-13/h2-3,6,12,16H,4-5H2,1H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyRJNJNIDQMYKJDN-GFCCVEGCSA-N
XLogP2.01
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of (4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (CID 95876330) is (4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is COc1ccc(Cl)cc1-c1nc2c([nH]1)CCN[C@H]2C(=O)O.
What is the InChIKey of (4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is RJNJNIDQMYKJDN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-21-10-3-2-7(15)6-8(10)13-17-9-4-5-16-12(14(19)20)11(9)18-13/h2-3,6,12,16H,4-5H2,1H3,(H,17,18)(H,19,20)/t12-/m1/s1.
What are the key properties of (4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
(4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 307.74 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 95876330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).