methyl 3-chloropyridine-4-carboxylate

C7H6ClNO2 — CID 15324397

IUPACmethyl 3-chloropyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Cl
InChIInChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3
InChIKeyUWSWHAPVUHNFKD-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.52
Rot. Bonds1

About methyl 3-chloropyridine-4-carboxylate

methyl 3-chloropyridine-4-carboxylate (PubChem CID 15324397) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is methyl 3-chloropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloropyridine-4-carboxylate
PubChem CID15324397
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Namemethyl 3-chloropyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Cl
InChIInChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3
InChIKeyUWSWHAPVUHNFKD-UHFFFAOYSA-N
XLogP1.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
CID 66484487
methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride
CID 175250868
methyl 3-[(1S)-1-aminoethyl]pyridine-4-carboxylate
CID 130847866
methyl 3-isocyanatopyridine-4-carboxylate
CID 46909403
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-propan-2-yloxypyridine-4-carboxamide
CID 131031569
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloropyridine-4-carboxylate?
The IUPAC name of methyl 3-chloropyridine-4-carboxylate (CID 15324397) is methyl 3-chloropyridine-4-carboxylate.
What is the SMILES notation for methyl 3-chloropyridine-4-carboxylate?
The canonical SMILES for methyl 3-chloropyridine-4-carboxylate is COC(=O)c1ccncc1Cl.
What is the InChIKey of methyl 3-chloropyridine-4-carboxylate?
The InChIKey is UWSWHAPVUHNFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3.
What are the key properties of methyl 3-chloropyridine-4-carboxylate?
methyl 3-chloropyridine-4-carboxylate has a molecular weight of 171.58 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloropyridine-4-carboxylate is sourced from PubChem (CID 15324397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).