5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid

C13H12ClN3O2 — CID 114919543

IUPAC5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
SMILESCc1cccc(CNc2cc(C(=O)O)c(Cl)cn2)n1
InChIInChI=1S/C13H12ClN3O2/c1-8-3-2-4-9(17-8)6-15-12-5-10(13(18)19)11(14)7-16-12/h2-5,7H,6H2,1H3,(H,15,16)(H,18,19)
InChIKeyBORBUKQJSMMGNN-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.75
Rot. Bonds4

About 5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid

5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 114919543) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
PubChem CID114919543
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
SMILESCc1cccc(CNc2cc(C(=O)O)c(Cl)cn2)n1
InChIInChI=1S/C13H12ClN3O2/c1-8-3-2-4-9(17-8)6-15-12-5-10(13(18)19)11(14)7-16-12/h2-5,7H,6H2,1H3,(H,15,16)(H,18,19)
InChIKeyBORBUKQJSMMGNN-UHFFFAOYSA-N
XLogP2.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 63081656
4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid
CID 83181382
N,N-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 78955998
2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 79838578
5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106034629
5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114125776
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
5-chloro-2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 114919676
2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571425
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid (CID 114919543) is 5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid is Cc1cccc(CNc2cc(C(=O)O)c(Cl)cn2)n1.
What is the InChIKey of 5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is BORBUKQJSMMGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-3-2-4-9(17-8)6-15-12-5-10(13(18)19)11(14)7-16-12/h2-5,7H,6H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid?
5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).