methyl 3-chloro-1,8-naphthyridine-2-carboxylate

C10H7ClN2O2 — CID 174912004

IUPACmethyl 3-chloro-1,8-naphthyridine-2-carboxylate
SMILESCOC(=O)c1nc2ncccc2cc1Cl
InChIInChI=1S/C10H7ClN2O2/c1-15-10(14)8-7(11)5-6-3-2-4-12-9(6)13-8/h2-5H,1H3
InChIKeyMWJRAYHDTJPMFQ-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.07
Rot. Bonds1

About methyl 3-chloro-1,8-naphthyridine-2-carboxylate

methyl 3-chloro-1,8-naphthyridine-2-carboxylate (PubChem CID 174912004) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is methyl 3-chloro-1,8-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-1,8-naphthyridine-2-carboxylate
PubChem CID174912004
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Namemethyl 3-chloro-1,8-naphthyridine-2-carboxylate
SMILESCOC(=O)c1nc2ncccc2cc1Cl
InChIInChI=1S/C10H7ClN2O2/c1-15-10(14)8-7(11)5-6-3-2-4-12-9(6)13-8/h2-5H,1H3
InChIKeyMWJRAYHDTJPMFQ-UHFFFAOYSA-N
XLogP2.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate
CID 134944004
methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate
CID 135240587
methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
CID 53218200
2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrido[2,3-d]pyrimidine-4-carboxylic acid;methyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrido[2,3-d]pyrimidine-4-carboxylate
CID 160944574
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate
CID 134501033
methyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235
methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate
CID 58553621
methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate
CID 71245215
methyl 5-bromo-2-(3-chloro-2-pyridinyl)triazole-4-carboxylate
CID 97057578
methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
CID 107518080

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-1,8-naphthyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-1,8-naphthyridine-2-carboxylate (CID 174912004) is methyl 3-chloro-1,8-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-1,8-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-1,8-naphthyridine-2-carboxylate is COC(=O)c1nc2ncccc2cc1Cl.
What is the InChIKey of methyl 3-chloro-1,8-naphthyridine-2-carboxylate?
The InChIKey is MWJRAYHDTJPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-15-10(14)8-7(11)5-6-3-2-4-12-9(6)13-8/h2-5H,1H3.
What are the key properties of methyl 3-chloro-1,8-naphthyridine-2-carboxylate?
methyl 3-chloro-1,8-naphthyridine-2-carboxylate has a molecular weight of 222.63 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-1,8-naphthyridine-2-carboxylate is sourced from PubChem (CID 174912004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).